N-[2-[[4-[3-[2-[1-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide

C49H64N10O9S2 — CID 156820488

IUPACN-[2-[[4-[3-[2-[1-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCC(=O)NC2NC(c3cccc(C4CCNC(C5(C(=O)N6CCN(CC7CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)NC8=O)C9=O)CC7)CC6)CC5)C4)c3)CS2)C1
InChIInChI=1S/C49H64N10O9S2/c1-70(67,68)58-18-12-34(28-58)43(62)51-26-42(61)54-48-52-38(29-69-48)33-4-2-3-31(23-33)32-9-15-50-40(24-32)49(13-14-49)47(66)57-21-19-55(20-22-57)27-30-10-16-56(17-11-30)35-5-6-36-37(25-35)46(65)59(45(36)64)39-7-8-41(60)53-44(39)63/h2-6,23,25,30,32,34,38-40,48,50,52H,7-22,24,26-29H2,1H3,(H,51,62)(H,54,61)(H,53,60,63)
InChIKeyXJFPYAFRQOCQJD-UHFFFAOYSA-N
MW1001.25 g/mol
LogP0.94
Rot. Bonds13

About N-[2-[[4-[3-[2-[1-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide

N-[2-[[4-[3-[2-[1-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide (PubChem CID 156820488) has the molecular formula C49H64N10O9S2 and a molecular weight of 1001.25 g/mol. Its IUPAC name is N-[2-[[4-[3-[2-[1-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[3-[2-[1-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide
PubChem CID156820488
Molecular FormulaC49H64N10O9S2
Molecular Weight1001.25 g/mol
Exact Mass1000.43
IUPAC NameN-[2-[[4-[3-[2-[1-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCC(=O)NC2NC(c3cccc(C4CCNC(C5(C(=O)N6CCN(CC7CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)NC8=O)C9=O)CC7)CC6)CC5)C4)c3)CS2)C1
InChIInChI=1S/C49H64N10O9S2/c1-70(67,68)58-18-12-34(28-58)43(62)51-26-42(61)54-48-52-38(29-69-48)33-4-2-3-31(23-33)32-9-15-50-40(24-32)49(13-14-49)47(66)57-21-19-55(20-22-57)27-30-10-16-56(17-11-30)35-5-6-36-37(25-35)46(65)59(45(36)64)39-7-8-41(60)53-44(39)63/h2-6,23,25,30,32,34,38-40,48,50,52H,7-22,24,26-29H2,1H3,(H,51,62)(H,54,61)(H,53,60,63)
InChIKeyXJFPYAFRQOCQJD-UHFFFAOYSA-N
XLogP0.94
TPSA229.98 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.25
LogP ≤ 50.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[2-[[4-[3-[2-[1-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[3-[2-[1-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[[4-[3-[2-[1-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide (CID 156820488) is N-[2-[[4-[3-[2-[1-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[[4-[3-[2-[1-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[[4-[3-[2-[1-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCC(=O)NC2NC(c3cccc(C4CCNC(C5(C(=O)N6CCN(CC7CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)NC8=O)C9=O)CC7)CC6)CC5)C4)c3)CS2)C1.
What is the InChIKey of N-[2-[[4-[3-[2-[1-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide?
The InChIKey is XJFPYAFRQOCQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H64N10O9S2/c1-70(67,68)58-18-12-34(28-58)43(62)51-26-42(61)54-48-52-38(29-69-48)33-4-2-3-31(23-33)32-9-15-50-40(24-32)49(13-14-49)47(66)57-21-19-55(20-22-57)27-30-10-16-56(17-11-30)35-5-6-36-37(25-35)46(65)59(45(36)64)39-7-8-41(60)53-44(39)63/h2-6,23,25,30,32,34,38-40,48,50,52H,7-22,24,26-29H2,1H3,(H,51,62)(H,54,61)(H,53,60,63).
What are the key properties of N-[2-[[4-[3-[2-[1-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide?
N-[2-[[4-[3-[2-[1-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide has a molecular weight of 1001.25 g/mol, XLogP of 0.94, 13 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[3-[2-[1-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclopropyl]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide is sourced from PubChem (CID 156820488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).